Artificial intelligence based virtual screening study for competitive and allosteric inhibitors of the SARS-CoV-2 main protease
SARS-CoV-2 is a highly contagious and dangerous coronavirus that first appeared in late
2019 causing COVID-19, a pandemic of acute respiratory illnesses that is still a threat to …
2019 causing COVID-19, a pandemic of acute respiratory illnesses that is still a threat to …
Structure-based virtual screening and biochemical validation to discover a potential inhibitor of the SARS-CoV-2 main protease
The recent pandemic caused by SARS-CoV-2 has led the world to a standstill, causing a
medical and economic crisis worldwide. This crisis has triggered an urgent need to discover …
medical and economic crisis worldwide. This crisis has triggered an urgent need to discover …
Identification of SARS‐CoV‐2 Main Protease Inhibitors Using Structure Based Virtual Screening and Molecular Dynamics Simulation of DrugBank Database
Abstract Severe Acute Respiratory Syndrome Coronavirus 2 (SARS‐CoV‐2) is highly
pathogenic to humans and has created an unprecedented global health care threat …
pathogenic to humans and has created an unprecedented global health care threat …
[HTML][HTML] Screening of potential inhibitors targeting the main protease structure of SARS-CoV-2 via molecular docking
X Yang, X Xing, Y Liu, Y Zheng - Frontiers in Pharmacology, 2022 - frontiersin.org
The novel coronavirus disease (COVID-19) caused by SARS-CoV-2 virus spreads rapidly to
become a global pandemic. Researchers have been working to develop specific drugs to …
become a global pandemic. Researchers have been working to develop specific drugs to …
Virtual screening, ADMET prediction and dynamics simulation of potential compounds targeting the main protease of SARS-CoV-2
The coronavirus disease-2019 caused by a novel SARS CoV-2 virus has emerged as a
global threat. Still, no drugs are available for its treatment. The main protease is the most …
global threat. Still, no drugs are available for its treatment. The main protease is the most …
Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors
A Jimenez-Alberto, RM Ribas-Aparicio… - … biology and chemistry, 2020 - Elsevier
The global emergency caused by COVID-19 makes the discovery of drugs capable of
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …
inhibiting SARS-CoV-2 a priority, to reduce the mortality and morbidity of this disease …
Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies
Currently, no antiviral drug or vaccine is available to treat COVID-19 caused by SARS-CoV-
2. This underscores an urgent need for developing a drug against SARS-CoV-2. The main …
2. This underscores an urgent need for developing a drug against SARS-CoV-2. The main …
Virtual screening and structure-based 3D pharmacophore approach to identify small-molecule inhibitors of SARS-CoV-2 Mpro
SA Elseginy - Journal of Biomolecular Structure and Dynamics, 2022 - Taylor & Francis
The outbreak caused by a coronavirus 2 has required quick and potential treatment
strategies. The main protease enzyme Mpro plays an important role in the viral replication …
strategies. The main protease enzyme Mpro plays an important role in the viral replication …
Structure-based identification of potential SARS-CoV-2 main protease inhibitors
To address coronavirus disease (COVID-19), currently, no effective drug or vaccine is
available. In this regard, molecular modeling approaches are highly useful to discover …
available. In this regard, molecular modeling approaches are highly useful to discover …
Targeting SARS-CoV-2 main protease: structure based virtual screening, in silico ADMET studies and molecular dynamics simulation for identification of potential …
A Uniyal, MK Mahapatra, V Tiwari… - Journal of …, 2022 - Taylor & Francis
COVID-19 pandemic has created a healthcare crisis across the world and has put human
life under life-threatening circumstances. The recent discovery of the crystallized structure of …
life under life-threatening circumstances. The recent discovery of the crystallized structure of …
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